data_1bfc_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1bfc _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 C--O 1.238 0.48 0 N-CA-C 110.889 -0.466 . . . . 38.12 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.34 179.69 1.45 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.123 1.157 . . . . 45.95 114.123 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -117.97 140.87 49.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 118.595 -2.566 . . . . 31.83 110.164 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.79 117.68 34.65 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 104.689 -2.338 . . . . 17.25 104.689 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -106.07 108.55 20.11 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.762 -0.654 . . . . 25.25 111.429 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.85 125.8 28.11 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.222 -2.174 . . . . 12.68 116.28 -176.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -58.06 -18.02 21.8 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.751 1.22 . . . . 26.55 110.753 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -91.11 68.58 6.09 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 116.681 -3.762 . . . . 21.55 113.744 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.19 -8.83 15.71 Favored Glycine 0 C--N 1.309 -0.95 1 O-C-N 116.213 -4.054 . . . . 19.01 111.071 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.99 38.06 84.08 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 120.514 -1.58 . . . . 15.52 113.728 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -104.17 132.08 50.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 117.416 -3.402 . . . . 23.5 113.225 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.64 139.38 33.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 118.919 -2.363 . . . . 17.24 110.843 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.39 138.97 58.72 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-O 122.657 1.218 . . . . 17.78 108.62 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.67 128.93 27.8 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.606 -0.724 . . . . 19.12 111.854 -175.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.2 mt -115.68 113.88 44.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.51 -0.922 . . . . 18.33 108.51 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -79.79 164.25 54.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 O-C-N 120.342 -1.474 . . . . 30.25 114.51 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -70.38 -14.7 34.4 Favored 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.633 0.889 . . . . 23.05 111.893 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -93.18 -5.31 50.38 Favored 'General case' 0 C--O 1.21 -0.985 0 O-C-N 117.653 -3.154 . . . . 28.89 110.698 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.14 11.83 38.27 Favored Glycine 0 N--CA 1.434 -1.457 1 O-C-N 114.232 -5.292 . . . . 22.91 111.911 179.421 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -97.11 133.59 41.57 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.753 -1.439 . . . . 61.91 109.225 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -110.74 134.0 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 120.655 -1.278 . . . . 20.62 110.763 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -157.58 -174.06 4.69 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 119.738 -1.851 . . . . 16.46 109.012 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.42 138.77 12.17 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-O 117.28 -1.845 . . . . 12.85 110.045 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.49 170.0 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 117.069 -3.607 . . . . 20.32 109.289 -179.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -34.94 6.76 Favored 'General case' 0 N--CA 1.422 -1.829 0 O-C-N 117.808 -3.058 . . . . 39.25 108.175 177.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -58.68 115.15 2.87 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 118.002 -1.479 . . . . 23.18 109.226 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -6.65 55.83 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 114.292 1.219 . . . . 34.06 114.292 -176.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -105.1 11.95 32.67 Favored 'General case' 0 N--CA 1.437 -1.095 0 O-C-N 120.77 -1.206 . . . . 24.07 110.888 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 51' ' ' HIS . 11.9 t70 -60.6 139.68 92.74 Favored Pre-proline 0 C--N 1.358 0.952 0 O-C-N 120.063 -1.648 . . . . 24.98 112.526 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.87 -19.69 6.99 Favored 'Trans proline' 0 CA--C 1.494 -1.508 0 O-C-N 118.394 -1.424 . . . . 18.71 108.516 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HIS . . . . . 0.56 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 66.3 m80 -84.53 7.94 18.29 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 118.117 2.636 . . . . 19.58 118.117 179.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -101.26 -12.86 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 O-C-N 117.846 -3.034 . . . . 19.87 109.898 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -67.46 125.04 24.87 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 119.302 -2.124 . . . . 42.77 106.946 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.19 167.95 14.72 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 119.677 -1.89 . . . . 21.21 109.776 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.64 125.88 31.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.137 -1.602 . . . . 42.06 108.62 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.62 127.35 53.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.051 0.453 . . . . 26.16 111.277 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . 0.678 ' CG ' ' OG ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -120.4 129.54 53.97 Favored 'General case' 0 N--CA 1.432 -1.334 0 O-C-N 117.574 -3.204 . . . . 41.46 109.831 -177.794 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.31 126.76 32.51 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 117.476 2.398 . . . . 33.68 117.476 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.763 ' O ' ' CB ' ' A' ' 60' ' ' GLU . 56.8 mm-40 -95.69 42.72 1.09 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 105.305 -2.109 . . . . 40.42 105.305 175.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . 0.763 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 101.46 155.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 117.98 -2.95 . . . . 45.83 107.551 -175.948 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' O ' ' OE2' ' A' ' 60' ' ' GLU . . . -32.47 120.32 0.31 Allowed 'General case' 0 C--O 1.256 1.4 0 N-CA-C 118.125 2.639 . . . . 38.02 118.125 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -43.07 2.99 Favored Glycine 0 C--O 1.207 -1.534 0 O-C-N 119.693 -1.88 . . . . 29.41 113.853 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -90.62 140.47 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 CA-C-N 121.736 2.768 . . . . 20.33 116.44 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.59 150.92 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 121.336 -0.852 . . . . 14.38 110.044 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . 0.678 ' OG ' ' CG ' ' A' ' 57' ' ' GLN . 68.5 p -109.3 143.38 38.87 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 103.166 -2.901 . . . . 17.69 103.166 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mt -110.72 134.59 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.64 0 N-CA-C 105.942 -1.873 . . . . 13.11 105.942 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -126.57 131.8 51.45 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 117.976 -1.49 . . . . 42.85 114.455 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.8 110.25 3.09 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 118.059 -2.02 . . . . 16.18 110.169 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 t -43.1 -69.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 O-C-N 119.524 -2.162 . . . . 22.73 114.856 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.5 m -49.51 -67.04 0.3 Allowed 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 119.688 -1.882 . . . . 20.59 114.392 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.02 -35.29 15.08 Favored 'General case' 0 C--O 1.214 -0.763 1 O-C-N 116.239 -4.038 . . . . 20.98 112.149 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 t30 71.43 30.88 2.42 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 116.149 -0.478 . . . . 18.55 111.201 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -123.99 145.56 49.11 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 116.868 -1.539 . . . . 21.75 110.712 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -89.46 136.41 33.04 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.863 1.06 . . . . 24.43 113.863 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.3 127.12 29.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 120.402 -1.436 . . . . 13.25 108.6 175.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.41 142.97 51.28 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 120.812 -1.18 . . . . 14.35 113.185 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.1 ttm -104.78 130.17 52.91 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 118.178 -2.826 . . . . 18.91 109.349 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -83.07 175.29 10.12 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 113.711 1.004 . . . . 25.72 113.711 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -11.84 60.01 Favored 'General case' 0 CA--C 1.493 -1.238 0 O-C-N 118.683 -2.511 . . . . 50.71 113.628 -175.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -97.56 18.92 14.35 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 117.42 -1.712 . . . . 24.24 108.651 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.97 -23.21 6.08 Favored Glycine 0 CA--C 1.541 1.707 0 O-C-N 120.94 -1.1 . . . . 19.56 115.193 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 158.24 0.52 Allowed 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 118.075 -3.015 . . . . 51.56 109.299 178.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -120.4 133.75 55.38 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 120.868 -1.145 . . . . 19.88 109.882 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.03 178.68 9.8 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 117.506 -3.246 . . . . 30.59 112.33 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.19 139.75 53.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 117.275 -1.77 . . . . 17.44 114.316 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.88 138.23 51.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.603 -1.936 . . . . 21.82 115.69 -177.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -41.68 64.74 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.644 -1.222 . . . . 47.36 109.95 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.4 p -117.87 157.92 25.78 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 117.991 -2.943 . . . . 29.14 114.961 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER -60.85 139.88 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.727 0 CA-C-N 110.299 -3.137 . . . . 23.4 110.087 178.534 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -154.54 166.23 33.98 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 125.049 1.339 . . . . 20.27 109.337 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -59.59 -8.69 2.07 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 119.332 -2.105 . . . . 31.28 112.886 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -98.83 21.02 12.08 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 116.445 -3.91 . . . . 18.49 110.545 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.47 17.27 9.7 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 118.483 -2.635 . . . . 11.12 113.65 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.92 136.39 53.72 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.343 -0.848 . . . . 16.07 110.184 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.17 147.43 52.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 123.034 1.397 . . . . 10.64 111.532 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -82.97 120.57 25.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 118.329 -2.732 . . . . 14.5 107.317 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.12 121.18 38.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.778 -1.826 . . . . 26.78 109.299 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -119.45 128.29 53.87 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 118.314 -2.741 . . . . 25.46 110.768 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.57 124.19 31.15 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 120.449 -1.407 . . . . 32.74 109.773 177.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -99.07 -166.27 1.33 Allowed 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.199 -1.563 . . . . 38.49 109.021 -176.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -77.07 151.97 35.24 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.02 -2.3 . . . . 29.89 111.19 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASN . . . . . 0.504 ' ND2' ' O1S' ' A' ' 306' ' ' SGN . 90.0 m-20 65.51 8.52 5.13 Favored 'General case' 0 C--O 1.259 1.582 0 CA-C-O 116.042 -1.932 . . . . 20.12 114.057 177.812 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 87.91 9.01 0.15 Allowed 'General case' 0 C--N 1.371 1.508 0 N-CA-C 117.572 2.434 . . . . 36.62 117.572 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -76.28 153.21 36.13 Favored 'General case' 0 C--O 1.26 1.63 0 O-C-N 117.182 -3.449 . . . . 21.67 106.495 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -120.29 155.11 33.95 Favored 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 121.055 -1.028 . . . . 22.85 109.689 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.2 p -132.7 143.22 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.732 -0.651 . . . . 16.8 109.689 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -120.36 110.63 16.76 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 123.054 1.407 . . . . 13.75 110.344 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -103.44 140.9 36.86 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.145 -1.597 . . . . 16.1 108.28 -178.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -70.03 128.83 37.67 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.32 -2.112 . . . . 15.51 115.438 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . 0.491 ' NH1' ' CG ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -69.76 -11.56 60.95 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 118.539 -2.601 . . . . 26.36 109.151 178.699 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -106.51 -45.59 4.21 Favored 'General case' 0 CA--C 1.567 1.598 1 O-C-N 115.549 -4.469 . . . . 34.87 111.509 175.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -98.3 70.97 2.05 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 116.656 -3.778 . . . . 15.89 103.106 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -42.44 -20.01 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.895 1 N-CA-C 123.474 4.62 . . . . 11.49 123.474 -171.726 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 p -107.38 10.0 29.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.652 1.115 . . . . 18.43 110.328 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -109.55 132.67 53.92 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 121.619 -0.676 . . . . 23.03 111.756 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -108.12 165.49 11.44 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 119.83 -1.794 . . . . 16.48 113.847 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.87 136.2 23.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 104.298 -2.482 . . . . 13.19 104.298 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.98 154.76 17.92 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 118.128 -2.857 . . . . 9.03 113.087 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.7 mt -120.84 138.15 54.2 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-O 122.873 1.32 . . . . 12.44 112.543 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.49 176.71 1.77 Allowed 'General case' 0 N--CA 1.42 -1.949 0 O-C-N 118.303 -2.748 . . . . 23.9 110.236 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -27.88 60.77 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.275 -1.516 . . . . 45.94 109.362 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.4 p -74.71 -8.22 55.74 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.354 -2.091 . . . . 19.16 111.391 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.42 -25.2 25.4 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 116.476 -3.89 . . . . 24.13 113.92 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 159.19 31.27 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 116.424 -3.986 . . . . 31.09 109.186 179.11 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -72.92 164.03 27.26 Favored 'General case' 0 N--CA 1.434 -1.275 0 O-C-N 119.176 -2.202 . . . . 21.57 113.08 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LYS . . . . . 0.549 ' NZ ' ' NE2' ' A' ' 135' ' ' GLN . 20.4 tttt -114.26 125.61 54.09 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.133 -1.604 . . . . 12.07 110.652 -177.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.53 130.4 11.12 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 120.764 1.62 . . . . 18.62 113.138 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.95 -15.47 35.66 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.999 -1.24 . . . . 15.26 109.999 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -83.93 4.43 29.68 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.288 -1.713 . . . . 16.45 111.812 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -129.62 29.57 5.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.498 -1.376 . . . . 28.89 110.542 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.4 p -111.36 -175.06 2.61 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 119.602 -1.936 . . . . 16.11 109.302 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -177.5 168.81 40.64 Favored Glycine 0 N--CA 1.431 -1.657 0 O-C-N 118.037 -2.914 . . . . 10.85 109.496 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.25 -21.75 41.27 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 121.61 1.54 . . . . 18.03 114.319 -172.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -115.35 21.79 12.67 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 115.2 -3.381 . . . . 20.45 115.946 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLN . . . . . 0.549 ' NE2' ' NZ ' ' A' ' 126' ' ' LYS . 17.5 mt-30 -82.11 141.12 33.4 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.81 1.244 . . . . 15.64 111.6 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -69.59 -20.99 63.63 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 117.966 -2.959 . . . . 32.83 110.811 177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.28 -14.29 62.54 Favored 'General case' 0 N--CA 1.418 -2.057 0 O-C-N 120.032 -1.668 . . . . 15.92 113.28 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.6 pt -102.68 -6.3 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.621 1 O-C-N 115.781 -4.324 . . . . 10.27 109.234 -174.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 26.2 mt -82.13 131.09 35.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 116.693 -1.622 . . . . 9.04 113.97 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -132.76 120.66 21.93 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 125.231 1.582 . . . . 13.8 111.886 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.6 tp -95.1 118.39 66.56 Favored Pre-proline 0 N--CA 1.434 -1.235 0 O-C-N 118.212 -2.805 . . . . 23.67 108.367 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -75.98 132.84 14.53 Favored 'Trans proline' 0 C--O 1.209 -0.947 0 C-N-CA 122.929 2.419 . . . . 24.36 110.634 -170.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 12.9 mtt -129.6 119.8 24.21 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 120.786 -1.196 . . . . 32.65 110.974 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.005 0 CA-C-O 116.273 -1.823 . . . . 48.12 110.193 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' UAP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' SGN . . . . . 0.504 ' O1S' ' ND2' ' A' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 C--O 1.238 0.48 0 N-CA-C 110.889 -0.466 . . . . 38.12 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 1.1 ptpm? -175.34 179.69 1.45 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.123 1.157 . . . . 45.95 114.123 -178.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -117.97 140.87 49.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 118.595 -2.566 . . . . 31.83 110.164 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.79 117.68 34.65 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 104.689 -2.338 . . . . 17.25 104.689 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -106.07 108.55 20.11 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.762 -0.654 . . . . 25.25 111.429 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.85 125.8 28.11 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.222 -2.174 . . . . 12.68 116.28 -176.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -58.06 -18.02 21.8 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.751 1.22 . . . . 26.55 110.753 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . 0.875 ' HA ' ' HD3' ' A' ' 136' ' ' LYS . 67.2 t30 -91.11 68.58 6.09 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 116.681 -3.762 . . . . 21.55 113.744 -179.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.19 -8.83 15.71 Favored Glycine 0 C--N 1.309 -0.95 1 O-C-N 116.213 -4.054 . . . . 19.01 111.071 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.99 38.06 84.08 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 120.514 -1.58 . . . . 15.52 113.728 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -104.17 132.08 50.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 117.416 -3.402 . . . . 23.5 113.225 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.9 m-85 -82.64 139.38 33.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 118.919 -2.363 . . . . 17.24 110.843 176.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.39 138.97 58.72 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-O 122.657 1.218 . . . . 17.78 108.62 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . 0.785 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -137.67 128.93 27.8 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.606 -0.724 . . . . 19.12 111.854 -175.828 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.447 HD12 HD22 ' A' ' 54' ' ' LEU . 67.2 mt -115.68 113.88 44.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.51 -0.922 . . . . 18.33 108.51 178.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 34' ' ' ARG . 89.3 m-70 -79.79 164.25 54.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 O-C-N 120.342 -1.474 . . . . 30.25 114.51 -178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -70.38 -14.7 34.4 Favored 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.633 0.889 . . . . 23.05 111.893 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . 0.636 ' OD2' ' HD3' ' A' ' 40' ' ' ARG . 34.3 p30 -93.18 -5.31 50.38 Favored 'General case' 0 C--O 1.21 -0.985 0 O-C-N 117.653 -3.154 . . . . 28.89 110.698 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.14 11.83 38.27 Favored Glycine 0 N--CA 1.434 -1.457 1 O-C-N 114.232 -5.292 . . . . 22.91 111.911 179.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' OD2' ' A' ' 38' ' ' ASP . 8.8 mtp180 -97.11 133.59 41.57 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.753 -1.439 . . . . 61.91 109.225 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 84' ' ' LEU . 44.3 t -110.74 134.0 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 120.655 -1.278 . . . . 20.62 110.763 179.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . 0.785 ' OD1' ' HD2' ' A' ' 34' ' ' ARG . 33.7 p30 -157.58 -174.06 4.69 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 119.738 -1.851 . . . . 16.46 109.012 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 32' ' ' PHE . . . -122.42 138.77 12.17 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-O 117.28 -1.845 . . . . 12.85 110.045 179.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.49 170.0 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 117.069 -3.607 . . . . 20.32 109.289 -179.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -34.94 6.76 Favored 'General case' 0 N--CA 1.422 -1.829 0 O-C-N 117.808 -3.058 . . . . 39.25 108.175 177.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -58.68 115.15 2.87 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 118.002 -1.479 . . . . 23.18 109.226 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 0.636 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -78.39 -6.65 55.83 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 114.292 1.219 . . . . 34.06 114.292 -176.1 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -105.1 11.95 32.67 Favored 'General case' 0 N--CA 1.437 -1.095 0 O-C-N 120.77 -1.206 . . . . 24.07 110.888 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 51' ' ' HIS . 11.9 t70 -60.6 139.68 92.74 Favored Pre-proline 0 C--N 1.358 0.952 0 O-C-N 120.063 -1.648 . . . . 24.98 112.526 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.87 -19.69 6.99 Favored 'Trans proline' 0 CA--C 1.494 -1.508 0 O-C-N 118.394 -1.424 . . . . 18.71 108.516 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 66.3 m80 -84.53 7.94 18.29 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 118.117 2.636 . . . . 19.58 118.117 179.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -101.26 -12.86 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 O-C-N 117.846 -3.034 . . . . 19.87 109.898 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -67.46 125.04 24.87 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 119.302 -2.124 . . . . 42.77 106.946 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD22 HD12 ' A' ' 35' ' ' ILE . 15.8 mt -126.19 167.95 14.72 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 119.677 -1.89 . . . . 21.21 109.776 -175.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.64 125.88 31.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.137 -1.602 . . . . 42.06 108.62 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.62 127.35 53.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.051 0.453 . . . . 26.16 111.277 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 0.678 ' CG ' ' OG ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -120.4 129.54 53.97 Favored 'General case' 0 N--CA 1.432 -1.334 0 O-C-N 117.574 -3.204 . . . . 41.46 109.831 -177.794 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.31 126.76 32.51 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 117.476 2.398 . . . . 33.68 117.476 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 1.042 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 56.8 mm-40 -95.69 42.72 1.09 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 105.305 -2.109 . . . . 40.42 105.305 175.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . 1.042 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 101.46 155.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 117.98 -2.95 . . . . 45.83 107.551 -175.948 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' O ' ' OE2' ' A' ' 60' ' ' GLU . . . -32.47 120.32 0.31 Allowed 'General case' 0 C--O 1.256 1.4 0 N-CA-C 118.125 2.639 . . . . 38.02 118.125 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -43.07 2.99 Favored Glycine 0 C--O 1.207 -1.534 0 O-C-N 119.693 -1.88 . . . . 29.41 113.853 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -90.62 140.47 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 CA-C-N 121.736 2.768 . . . . 20.33 116.44 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.59 150.92 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 121.336 -0.852 . . . . 14.38 110.044 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.678 ' OG ' ' CG ' ' A' ' 57' ' ' GLN . 68.5 p -109.3 143.38 38.87 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 103.166 -2.901 . . . . 17.69 103.166 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mt -110.72 134.59 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.64 0 N-CA-C 105.942 -1.873 . . . . 13.11 105.942 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HE2' HE22 ' A' ' 57' ' ' GLN . 18.7 ttpt -126.57 131.8 51.45 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 117.976 -1.49 . . . . 42.85 114.455 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.8 110.25 3.09 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 118.059 -2.02 . . . . 16.18 110.169 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 t -43.1 -69.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 O-C-N 119.524 -2.162 . . . . 22.73 114.856 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.5 m -49.51 -67.04 0.3 Allowed 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 119.688 -1.882 . . . . 20.59 114.392 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.02 -35.29 15.08 Favored 'General case' 0 C--O 1.214 -0.763 1 O-C-N 116.239 -4.038 . . . . 20.98 112.149 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 t30 71.43 30.88 2.42 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 116.149 -0.478 . . . . 18.55 111.201 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -123.99 145.56 49.11 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 116.868 -1.539 . . . . 21.75 110.712 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -89.46 136.41 33.04 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.863 1.06 . . . . 24.43 113.863 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 83' ' ' LEU . 27.4 tp -62.3 127.12 29.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 120.402 -1.436 . . . . 13.25 108.6 175.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.41 142.97 51.28 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 120.812 -1.18 . . . . 14.35 113.185 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.1 ttm -104.78 130.17 52.91 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 118.178 -2.826 . . . . 18.91 109.349 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -83.07 175.29 10.12 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 113.711 1.004 . . . . 25.72 113.711 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -11.84 60.01 Favored 'General case' 0 CA--C 1.493 -1.238 0 O-C-N 118.683 -2.511 . . . . 50.71 113.628 -175.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -97.56 18.92 14.35 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 117.42 -1.712 . . . . 24.24 108.651 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.97 -23.21 6.08 Favored Glycine 0 CA--C 1.541 1.707 0 O-C-N 120.94 -1.1 . . . . 19.56 115.193 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 158.24 0.52 Allowed 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 118.075 -3.015 . . . . 51.56 109.299 178.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' A' ' 75' ' ' LEU . 3.1 tp -120.4 133.75 55.38 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 120.868 -1.145 . . . . 19.88 109.882 179.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . 0.635 ' HA ' HG23 ' A' ' 41' ' ' VAL . 3.0 pp -159.03 178.68 9.8 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 117.506 -3.246 . . . . 30.59 112.33 176.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.19 139.75 53.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 117.275 -1.77 . . . . 17.44 114.316 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.88 138.23 51.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.603 -1.936 . . . . 21.82 115.69 -177.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -41.68 64.74 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.644 -1.222 . . . . 47.36 109.95 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 90' ' ' THR . 81.4 p -117.87 157.92 25.78 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 117.991 -2.943 . . . . 29.14 114.961 178.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER -60.85 139.88 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.727 0 CA-C-N 110.299 -3.137 . . . . 23.4 110.087 178.534 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 88' ' ' SER . 5.4 p -154.54 166.23 33.98 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 125.049 1.339 . . . . 20.27 109.337 177.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -59.59 -8.69 2.07 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 119.332 -2.105 . . . . 31.28 112.886 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -98.83 21.02 12.08 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 116.445 -3.91 . . . . 18.49 110.545 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.47 17.27 9.7 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 118.483 -2.635 . . . . 11.12 113.65 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.92 136.39 53.72 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.343 -0.848 . . . . 16.07 110.184 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.17 147.43 52.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 123.034 1.397 . . . . 10.64 111.532 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -82.97 120.57 25.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 118.329 -2.732 . . . . 14.5 107.317 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 5.6 tt0 -97.12 121.18 38.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.778 -1.826 . . . . 26.78 109.299 178.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ARG . . . . . 0.55 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 14.5 ttt-85 -119.45 128.29 53.87 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 118.314 -2.741 . . . . 25.46 110.768 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -84.57 124.19 31.15 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 120.449 -1.407 . . . . 32.74 109.773 177.998 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . 0.55 ' OE2' ' HD3' ' A' ' 98' ' ' ARG . 47.5 mm-40 -99.07 -166.27 1.33 Allowed 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.199 -1.563 . . . . 38.49 109.021 -176.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -77.07 151.97 35.24 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.02 -2.3 . . . . 29.89 111.19 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASN . . . . . 0.464 ' ND2' ' O1S' ' A' ' 306' ' ' SGN . 90.0 m-20 65.51 8.52 5.13 Favored 'General case' 0 C--O 1.259 1.582 0 CA-C-O 116.042 -1.932 . . . . 20.12 114.057 177.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . 0.61 ' HA ' HD21 ' A' ' 99' ' ' LEU . 68.6 m-20 87.91 9.01 0.15 Allowed 'General case' 0 C--N 1.371 1.508 0 N-CA-C 117.572 2.434 . . . . 36.62 117.572 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -76.28 153.21 36.13 Favored 'General case' 0 C--O 1.26 1.63 0 O-C-N 117.182 -3.449 . . . . 21.67 106.495 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -120.29 155.11 33.95 Favored 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 121.055 -1.028 . . . . 22.85 109.689 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.2 p -132.7 143.22 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.732 -0.651 . . . . 16.8 109.689 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 97' ' ' GLU . 95.1 m-85 -120.36 110.63 16.76 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 123.054 1.407 . . . . 13.75 110.344 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 209' ' ' HOH . 0.9 OUTLIER -103.44 140.9 36.86 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.145 -1.597 . . . . 16.1 108.28 -178.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -70.03 128.83 37.67 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.32 -2.112 . . . . 15.51 115.438 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . 1.032 HH11 ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -69.76 -11.56 60.95 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 118.539 -2.601 . . . . 26.36 109.151 178.699 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -106.51 -45.59 4.21 Favored 'General case' 0 CA--C 1.567 1.598 1 O-C-N 115.549 -4.469 . . . . 34.87 111.509 175.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -98.3 70.97 2.05 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 116.656 -3.778 . . . . 15.89 103.106 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -42.44 -20.01 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.895 1 N-CA-C 123.474 4.62 . . . . 11.49 123.474 -171.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 p -107.38 10.0 29.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.652 1.115 . . . . 18.43 110.328 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -109.55 132.67 53.92 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 121.619 -0.676 . . . . 23.03 111.756 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -108.12 165.49 11.44 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 119.83 -1.794 . . . . 16.48 113.847 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.87 136.2 23.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 104.298 -2.482 . . . . 13.19 104.298 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.98 154.76 17.92 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 118.128 -2.857 . . . . 9.03 113.087 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.7 mt -120.84 138.15 54.2 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-O 122.873 1.32 . . . . 12.44 112.543 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.49 176.71 1.77 Allowed 'General case' 0 N--CA 1.42 -1.949 0 O-C-N 118.303 -2.748 . . . . 23.9 110.236 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -27.88 60.77 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.275 -1.516 . . . . 45.94 109.362 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.4 p -74.71 -8.22 55.74 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.354 -2.091 . . . . 19.16 111.391 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.42 -25.2 25.4 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 116.476 -3.89 . . . . 24.13 113.92 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 159.19 31.27 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 116.424 -3.986 . . . . 31.09 109.186 179.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -72.92 164.03 27.26 Favored 'General case' 0 N--CA 1.434 -1.275 0 O-C-N 119.176 -2.202 . . . . 21.57 113.08 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -114.26 125.61 54.09 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.133 -1.604 . . . . 12.07 110.652 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.53 130.4 11.12 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 120.764 1.62 . . . . 18.62 113.138 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.95 -15.47 35.66 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.999 -1.24 . . . . 15.26 109.999 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -83.93 4.43 29.68 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.288 -1.713 . . . . 16.45 111.812 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -129.62 29.57 5.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.498 -1.376 . . . . 28.89 110.542 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.4 p -111.36 -175.06 2.61 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 119.602 -1.936 . . . . 16.11 109.302 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -177.5 168.81 40.64 Favored Glycine 0 N--CA 1.431 -1.657 0 O-C-N 118.037 -2.914 . . . . 10.85 109.496 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.25 -21.75 41.27 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 121.61 1.54 . . . . 18.03 114.319 -172.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -115.35 21.79 12.67 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 115.2 -3.381 . . . . 20.45 115.946 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -82.11 141.12 33.4 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.81 1.244 . . . . 15.64 111.6 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . 0.875 ' HD3' ' HA ' ' A' ' 28' ' ' ASN . 5.7 ttmm -69.59 -20.99 63.63 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 117.966 -2.959 . . . . 32.83 110.811 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.28 -14.29 62.54 Favored 'General case' 0 N--CA 1.418 -2.057 0 O-C-N 120.032 -1.668 . . . . 15.92 113.28 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 138' ' ' ILE . 16.6 pt -102.68 -6.3 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.621 1 O-C-N 115.781 -4.324 . . . . 10.27 109.234 -174.172 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 26.2 mt -82.13 131.09 35.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 116.693 -1.622 . . . . 9.04 113.97 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -132.76 120.66 21.93 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 125.231 1.582 . . . . 13.8 111.886 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 142' ' ' PRO . 10.6 tp -95.1 118.39 66.56 Favored Pre-proline 0 N--CA 1.434 -1.235 0 O-C-N 118.212 -2.805 . . . . 23.67 108.367 176.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 141' ' ' LEU . 12.6 Cg_exo -75.98 132.84 14.53 Favored 'Trans proline' 0 C--O 1.209 -0.947 0 C-N-CA 122.929 2.419 . . . . 24.36 110.634 -170.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 12.9 mtt -129.6 119.8 24.21 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 120.786 -1.196 . . . . 32.65 110.974 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.005 0 CA-C-O 116.273 -1.823 . . . . 48.12 110.193 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' UAP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' IDS . . . . . 0.589 ' C1 ' ' H61' ' A' ' 304' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' SGN . . . . . 0.589 ' H61' ' C1 ' ' A' ' 303' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' IDS . . . . . 0.411 ' O3 ' ' H1 ' ' A' ' 304' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' SGN . . . . . 0.464 ' O1S' ' ND2' ' A' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . 0.472 ' O ' ' HD3' ' A' ' 108' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 C--O 1.238 0.48 0 N-CA-C 110.889 -0.466 . . . . 38.12 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 1.1 ptpm? -175.34 179.69 1.45 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.123 1.157 . . . . 45.95 114.123 -178.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -117.97 140.87 49.12 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 118.595 -2.566 . . . . 31.83 110.164 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.79 117.68 34.65 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 104.689 -2.338 . . . . 17.25 104.689 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -106.07 108.55 20.11 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.762 -0.654 . . . . 25.25 111.429 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.85 125.8 28.11 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.222 -2.174 . . . . 12.68 116.28 -176.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -58.06 -18.02 21.8 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.751 1.22 . . . . 26.55 110.753 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.875 ' HA ' ' HD3' ' A' ' 136' ' ' LYS . 67.2 t30 -91.11 68.58 6.09 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 116.681 -3.762 . . . . 21.55 113.744 -179.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.19 -8.83 15.71 Favored Glycine 0 C--N 1.309 -0.95 1 O-C-N 116.213 -4.054 . . . . 19.01 111.071 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.99 38.06 84.08 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 120.514 -1.58 . . . . 15.52 113.728 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -104.17 132.08 50.8 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 117.416 -3.402 . . . . 23.5 113.225 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.9 m-85 -82.64 139.38 33.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 118.919 -2.363 . . . . 17.24 110.843 176.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.39 138.97 58.72 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-O 122.657 1.218 . . . . 17.78 108.62 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.785 ' HD2' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -137.67 128.93 27.8 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.606 -0.724 . . . . 19.12 111.854 -175.828 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.447 HD12 HD22 ' A' ' 54' ' ' LEU . 67.2 mt -115.68 113.88 44.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.51 -0.922 . . . . 18.33 108.51 178.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.587 ' CE1' ' HD3' ' A' ' 34' ' ' ARG . 52.8 m80 -79.79 164.25 54.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 O-C-N 120.342 -1.474 . . . . 30.25 114.51 -178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -70.38 -14.7 34.4 Favored 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.633 0.889 . . . . 23.05 111.893 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.636 ' OD2' ' HD3' ' A' ' 40' ' ' ARG . 34.3 p30 -93.18 -5.31 50.38 Favored 'General case' 0 C--O 1.21 -0.985 0 O-C-N 117.653 -3.154 . . . . 28.89 110.698 178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.14 11.83 38.27 Favored Glycine 0 N--CA 1.434 -1.457 1 O-C-N 114.232 -5.292 . . . . 22.91 111.911 179.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' OD2' ' A' ' 38' ' ' ASP . 8.8 mtp180 -97.11 133.59 41.57 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.753 -1.439 . . . . 61.91 109.225 179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 84' ' ' LEU . 44.3 t -110.74 134.0 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 120.655 -1.278 . . . . 20.62 110.763 179.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.785 ' OD1' ' HD2' ' A' ' 34' ' ' ARG . 33.7 p30 -157.58 -174.06 4.69 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 119.738 -1.851 . . . . 16.46 109.012 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 32' ' ' PHE . . . -122.42 138.77 12.17 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-O 117.28 -1.845 . . . . 12.85 110.045 179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.49 170.0 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 O-C-N 117.069 -3.607 . . . . 20.32 109.289 -179.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -34.94 6.76 Favored 'General case' 0 N--CA 1.422 -1.829 0 O-C-N 117.808 -3.058 . . . . 39.25 108.175 177.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -58.68 115.15 2.87 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 118.002 -1.479 . . . . 23.18 109.226 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.636 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -78.39 -6.65 55.83 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 114.292 1.219 . . . . 34.06 114.292 -176.1 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.5 p -105.1 11.95 32.67 Favored 'General case' 0 N--CA 1.437 -1.095 0 O-C-N 120.77 -1.206 . . . . 24.07 110.888 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 51' ' ' HIS . 11.9 t70 -60.6 139.68 92.74 Favored Pre-proline 0 C--N 1.358 0.952 0 O-C-N 120.063 -1.648 . . . . 24.98 112.526 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.87 -19.69 6.99 Favored 'Trans proline' 0 CA--C 1.494 -1.508 0 O-C-N 118.394 -1.424 . . . . 18.71 108.516 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 66.3 m80 -84.53 7.94 18.29 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 118.117 2.636 . . . . 19.58 118.117 179.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.1 pt -101.26 -12.86 8.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 O-C-N 117.846 -3.034 . . . . 19.87 109.898 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -67.46 125.04 24.87 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 119.302 -2.124 . . . . 42.77 106.946 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD22 HD12 ' A' ' 35' ' ' ILE . 15.8 mt -126.19 167.95 14.72 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 119.677 -1.89 . . . . 21.21 109.776 -175.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -132.64 125.88 31.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 O-C-N 120.137 -1.602 . . . . 42.06 108.62 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.62 127.35 53.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.051 0.453 . . . . 26.16 111.277 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.678 ' CG ' ' OG ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -120.4 129.54 53.97 Favored 'General case' 0 N--CA 1.432 -1.334 0 O-C-N 117.574 -3.204 . . . . 41.46 109.831 -177.794 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.31 126.76 32.51 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 117.476 2.398 . . . . 33.68 117.476 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.042 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 56.8 mm-40 -95.69 42.72 1.09 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 105.305 -2.109 . . . . 40.42 105.305 175.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . 1.042 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER 101.46 155.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 117.98 -2.95 . . . . 45.83 107.551 -175.948 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' O ' ' OE2' ' A' ' 60' ' ' GLU . . . -32.47 120.32 0.31 Allowed 'General case' 0 C--O 1.256 1.4 0 N-CA-C 118.125 2.639 . . . . 38.02 118.125 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -43.07 2.99 Favored Glycine 0 C--O 1.207 -1.534 0 O-C-N 119.693 -1.88 . . . . 29.41 113.853 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -90.62 140.47 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 CA-C-N 121.736 2.768 . . . . 20.33 116.44 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.59 150.92 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 O-C-N 121.336 -0.852 . . . . 14.38 110.044 -176.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.678 ' OG ' ' CG ' ' A' ' 57' ' ' GLN . 68.5 p -109.3 143.38 38.87 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 103.166 -2.901 . . . . 17.69 103.166 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mt -110.72 134.59 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.64 0 N-CA-C 105.942 -1.873 . . . . 13.11 105.942 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HE2' HE22 ' A' ' 57' ' ' GLN . 18.7 ttpt -126.57 131.8 51.45 Favored 'General case' 0 C--O 1.21 -1.014 0 C-N-CA 117.976 -1.49 . . . . 42.85 114.455 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.8 110.25 3.09 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 118.059 -2.02 . . . . 16.18 110.169 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 t -43.1 -69.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 O-C-N 119.524 -2.162 . . . . 22.73 114.856 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.5 m -49.51 -67.04 0.3 Allowed 'General case' 0 N--CA 1.432 -1.348 0 O-C-N 119.688 -1.882 . . . . 20.59 114.392 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.02 -35.29 15.08 Favored 'General case' 0 C--O 1.214 -0.763 1 O-C-N 116.239 -4.038 . . . . 20.98 112.149 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 t30 71.43 30.88 2.42 Favored 'General case' 0 C--O 1.258 1.502 0 CA-C-N 116.149 -0.478 . . . . 18.55 111.201 -177.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -123.99 145.56 49.11 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-O 116.868 -1.539 . . . . 21.75 110.712 -177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -89.46 136.41 33.04 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.863 1.06 . . . . 24.43 113.863 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 83' ' ' LEU . 27.4 tp -62.3 127.12 29.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 120.402 -1.436 . . . . 13.25 108.6 175.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.41 142.97 51.28 Favored 'General case' 0 C--N 1.312 -1.061 0 O-C-N 120.812 -1.18 . . . . 14.35 113.185 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.1 ttm -104.78 130.17 52.91 Favored 'General case' 0 C--O 1.215 -0.742 0 O-C-N 118.178 -2.826 . . . . 18.91 109.349 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -83.07 175.29 10.12 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 113.711 1.004 . . . . 25.72 113.711 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -11.84 60.01 Favored 'General case' 0 CA--C 1.493 -1.238 0 O-C-N 118.683 -2.511 . . . . 50.71 113.628 -175.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -97.56 18.92 14.35 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 117.42 -1.712 . . . . 24.24 108.651 175.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.97 -23.21 6.08 Favored Glycine 0 CA--C 1.541 1.707 0 O-C-N 120.94 -1.1 . . . . 19.56 115.193 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.89 158.24 0.52 Allowed 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 118.075 -3.015 . . . . 51.56 109.299 178.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' A' ' 75' ' ' LEU . 3.1 tp -120.4 133.75 55.38 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 120.868 -1.145 . . . . 19.88 109.882 179.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.635 ' HA ' HG23 ' A' ' 41' ' ' VAL . 3.0 pp -159.03 178.68 9.8 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 117.506 -3.246 . . . . 30.59 112.33 176.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.19 139.75 53.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 117.275 -1.77 . . . . 17.44 114.316 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.88 138.23 51.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.603 -1.936 . . . . 21.82 115.69 -177.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.95 -41.68 64.74 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 118.644 -1.222 . . . . 47.36 109.95 176.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 90' ' ' THR . 81.4 p -117.87 157.92 25.78 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 117.991 -2.943 . . . . 29.14 114.961 178.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER -60.85 139.88 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.727 0 CA-C-N 110.299 -3.137 . . . . 23.4 110.087 178.534 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 88' ' ' SER . 5.4 p -154.54 166.23 33.98 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 125.049 1.339 . . . . 20.27 109.337 177.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -59.59 -8.69 2.07 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 119.332 -2.105 . . . . 31.28 112.886 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -98.83 21.02 12.08 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 116.445 -3.91 . . . . 18.49 110.545 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.47 17.27 9.7 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 118.483 -2.635 . . . . 11.12 113.65 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -124.92 136.39 53.72 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.343 -0.848 . . . . 16.07 110.184 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.17 147.43 52.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 123.034 1.397 . . . . 10.64 111.532 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -82.97 120.57 25.88 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 118.329 -2.732 . . . . 14.5 107.317 174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 107' ' ' TYR . 5.6 tt0 -97.12 121.18 38.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 119.778 -1.826 . . . . 26.78 109.299 178.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.55 ' HD3' ' OE2' ' A' ' 100' ' ' GLU . 14.5 ttt-85 -119.45 128.29 53.87 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 118.314 -2.741 . . . . 25.46 110.768 -178.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -84.57 124.19 31.15 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 120.449 -1.407 . . . . 32.74 109.773 177.998 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.55 ' OE2' ' HD3' ' A' ' 98' ' ' ARG . 47.5 mm-40 -99.07 -166.27 1.33 Allowed 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.199 -1.563 . . . . 38.49 109.021 -176.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -77.07 151.97 35.24 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.02 -2.3 . . . . 29.89 111.19 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.464 ' ND2' ' O1S' ' A' ' 306' ' ' SGN . 90.0 m-20 65.51 8.52 5.13 Favored 'General case' 0 C--O 1.259 1.582 0 CA-C-O 116.042 -1.932 . . . . 20.12 114.057 177.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.61 ' HA ' HD21 ' A' ' 99' ' ' LEU . 68.6 m-20 87.91 9.01 0.15 Allowed 'General case' 0 C--N 1.371 1.508 0 N-CA-C 117.572 2.434 . . . . 36.62 117.572 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -76.28 153.21 36.13 Favored 'General case' 0 C--O 1.26 1.63 0 O-C-N 117.182 -3.449 . . . . 21.67 106.495 176.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -120.29 155.11 33.95 Favored 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 121.055 -1.028 . . . . 22.85 109.689 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 43.2 p -132.7 143.22 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.732 -0.651 . . . . 16.8 109.689 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 97' ' ' GLU . 95.1 m-85 -120.36 110.63 16.76 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 123.054 1.407 . . . . 13.75 110.344 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 209' ' ' HOH . 0.9 OUTLIER -103.44 140.9 36.86 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.145 -1.597 . . . . 16.1 108.28 -178.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -70.03 128.83 37.67 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 119.32 -2.112 . . . . 15.51 115.438 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . 1.032 HH11 ' HG2' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -69.76 -11.56 60.95 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 118.539 -2.601 . . . . 26.36 109.151 178.699 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -106.51 -45.59 4.21 Favored 'General case' 0 CA--C 1.567 1.598 1 O-C-N 115.549 -4.469 . . . . 34.87 111.509 175.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -98.3 70.97 2.05 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 116.656 -3.778 . . . . 15.89 103.106 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -42.44 -20.01 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.895 1 N-CA-C 123.474 4.62 . . . . 11.49 123.474 -171.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.3 p -107.38 10.0 29.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.652 1.115 . . . . 18.43 110.328 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -109.55 132.67 53.92 Favored 'General case' 0 N--CA 1.436 -1.173 0 O-C-N 121.619 -0.676 . . . . 23.03 111.756 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -108.12 165.49 11.44 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 119.83 -1.794 . . . . 16.48 113.847 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.0 t -81.87 136.2 23.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 104.298 -2.482 . . . . 13.19 104.298 175.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -162.98 154.76 17.92 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 118.128 -2.857 . . . . 9.03 113.087 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.7 mt -120.84 138.15 54.2 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-O 122.873 1.32 . . . . 12.44 112.543 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.49 176.71 1.77 Allowed 'General case' 0 N--CA 1.42 -1.949 0 O-C-N 118.303 -2.748 . . . . 23.9 110.236 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -27.88 60.77 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.275 -1.516 . . . . 45.94 109.362 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.4 p -74.71 -8.22 55.74 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 119.354 -2.091 . . . . 19.16 111.391 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.42 -25.2 25.4 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 116.476 -3.89 . . . . 24.13 113.92 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.81 159.19 31.27 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 116.424 -3.986 . . . . 31.09 109.186 179.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -72.92 164.03 27.26 Favored 'General case' 0 N--CA 1.434 -1.275 0 O-C-N 119.176 -2.202 . . . . 21.57 113.08 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.549 ' NZ ' ' NE2' ' A' ' 135' ' ' GLN . 20.4 tttt -114.26 125.61 54.09 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.133 -1.604 . . . . 12.07 110.652 -177.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.53 130.4 11.12 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 120.764 1.62 . . . . 18.62 113.138 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.95 -15.47 35.66 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.999 -1.24 . . . . 15.26 109.999 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -83.93 4.43 29.68 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.288 -1.713 . . . . 16.45 111.812 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -129.62 29.57 5.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.498 -1.376 . . . . 28.89 110.542 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 40.4 p -111.36 -175.06 2.61 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 119.602 -1.936 . . . . 16.11 109.302 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -177.5 168.81 40.64 Favored Glycine 0 N--CA 1.431 -1.657 0 O-C-N 118.037 -2.914 . . . . 10.85 109.496 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.25 -21.75 41.27 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 121.61 1.54 . . . . 18.03 114.319 -172.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -115.35 21.79 12.67 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 115.2 -3.381 . . . . 20.45 115.946 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.549 ' NE2' ' NZ ' ' A' ' 126' ' ' LYS . 17.5 mt-30 -82.11 141.12 33.4 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.81 1.244 . . . . 15.64 111.6 179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.875 ' HD3' ' HA ' ' A' ' 28' ' ' ASN . 5.7 ttmm -69.59 -20.99 63.63 Favored 'General case' 0 C--O 1.214 -0.776 0 O-C-N 117.966 -2.959 . . . . 32.83 110.811 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.28 -14.29 62.54 Favored 'General case' 0 N--CA 1.418 -2.057 0 O-C-N 120.032 -1.668 . . . . 15.92 113.28 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 138' ' ' ILE . 16.6 pt -102.68 -6.3 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.621 1 O-C-N 115.781 -4.324 . . . . 10.27 109.234 -174.172 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 26.2 mt -82.13 131.09 35.24 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 116.693 -1.622 . . . . 9.04 113.97 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -132.76 120.66 21.93 Favored 'General case' 0 C--N 1.381 1.963 0 O-C-N 125.231 1.582 . . . . 13.8 111.886 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 142' ' ' PRO . 10.6 tp -95.1 118.39 66.56 Favored Pre-proline 0 N--CA 1.434 -1.235 0 O-C-N 118.212 -2.805 . . . . 23.67 108.367 176.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 141' ' ' LEU . 12.6 Cg_exo -75.98 132.84 14.53 Favored 'Trans proline' 0 C--O 1.209 -0.947 0 C-N-CA 122.929 2.419 . . . . 24.36 110.634 -170.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 12.9 mtt -129.6 119.8 24.21 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 120.786 -1.196 . . . . 32.65 110.974 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.005 0 CA-C-O 116.273 -1.823 . . . . 48.12 110.193 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' UAP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' IDS . . . . . 0.589 ' C1 ' ' H61' ' A' ' 304' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' SGN . . . . . 0.589 ' H61' ' C1 ' ' A' ' 303' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' IDS . . . . . 0.411 ' O3 ' ' H1 ' ' A' ' 304' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' SGN . . . . . 0.464 ' O1S' ' ND2' ' A' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . 0.472 ' O ' ' HD3' ' A' ' 108' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_